SCHEMBL9976748

SCHEMBL9976748

c1ccc2cc(-c3cc4c(cc(-c5ccc6ccccc6c5)c5cccnc54)c4ncccc34)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.48
CCR8 P51685 5/20 0.48
LMNA P02545 3/20 0.48
KDM4E B2RXH2 3/20 0.48
CCR5 P51681 3/20 0.48
CYP3A4 P08684 2/20 0.48
TP53 P04637 2/20 0.48
MAPT P10636 2/20 0.48
TSHR P16473 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GMNN O75496 1/20 0.48
HSP90AA1 P07900 1/20 0.48
MMP2 P08253 1/20 0.48
CYP2D6 P10635 1/20 0.48
MMP9 P14780 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
MMP8 P22894 1/20 0.48
THPO P40225 1/20 0.48
MTOR P42345 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27934158 0.97 CCR1 (0.46) CCR1CCR8LMNAKDM4ECCR5
SCHEMBL9976763 0.95 CYP17A1 (0.45) CCR1CCR8LMNAKDM4ECCR5
SCHEMBL28809041 0.87 ALDH1A1 (0.56) CCR1CCR8LMNAKDM4ECCR5
SCHEMBL29720563 0.87 ALDH1A1 (0.56) CCR1CCR8LMNAKDM4ECCR5
SCHEMBL14478694 0.86 ALDH1A1 (0.42) CCR1CCR8LMNAKDM4ECCR5
SCHEMBL12708372 0.85 CCR1 (0.51) CCR1CCR8LMNAKDM4ECCR5
SCHEMBL12577901 0.83 GPR84 (0.40) CCR1CCR8LMNAKDM4ECCR5
SCHEMBL12577926 0.82 GPR84 (0.40) CCR1CCR8LMNAKDM4ECCR5
SCHEMBL19009633 0.82 ADORA2A (0.42) CCR1CCR8LMNAKDM4ECCR5
SCHEMBL12830761 0.82 CCR1 (0.35) CCR1CCR8LMNAKDM4ECCR5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877354-B2 Heterocyclic compound and organic light-emitting device using the same CANON KABUSHIKI KAISHA (JP) 2014-11-04 US disclosed
US-8877354-B2 Heterocyclic compound and organic light-emitting device using the same CANON KABUSHIKI KAISHA (JP) 2014-11-04 US disclosed
US-20120153270-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-06-21 US disclosed
US-20120153270-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-06-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120153270-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME ORC3, CYP1A1, CRY1 CCR1 2478/4885CCR8 3620/4885LMNA 2883/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.